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Search term: OAIJSZIZWZSQBC-GYZMGTAEBZ
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Inherent Properties, Identifiers and References
ChemSpider ID: 394156
Empirical Formula: C40H56
Molecular Weight: 536.8726
Nominal Mass: 536 Da
Average Mass: 536.8726 Da
Monoisotopic Mass: 536.438202 Da
Systematic Name: (6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31​-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridec​aene
SMILES: C(\C=C\C=C(\CC/C=C(\C)C)C)(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(​\C)CC\C=C(/C)C)C)C)C)C
InChI: InChI=1/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)​21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11​-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17​+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
InChIKey: OAIJSZIZWZSQBC-GYZMGTAEBZ
Std. InChI: InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5​)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h1​1-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-1​7+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
Std. InChIKey: OAIJSZIZWZSQBC-GYZMGTAESA-N
(Details...) Wikipedia Article(s)
Lycopene is a bright red carotene and carotenoid pigment and phytochemical found in tomatoes and other red fruits & vegetables, such as red carrots, watermelons and papayas (but not strawberries or cherries). Although lycopene is chemically a carotene, it has no vitamin A activity. In plants, algae, and other photosynthetic organisms, lycopene is an important intermediate in the biosynthesis of many carotenoids, including beta carotene, responsible for yellow, orange or red pigmentation, photosynthesis, and photo-protection. Structurally, it is a tetraterpene assembled from eight isoprene units, composed entirely of carbon and hydrogen, and is insoluble in water. Lycopene's eleven conjugated double bonds give it its deep red color and are responsible for its antioxidant activity. Due to its strong color and non-toxicity, lycopene is a useful food coloring. Lycopene is not an essential nutrient for humans, but is commonly found in the diet, mainly from dishes prepared with tomato sauce. When absorbed from the stomach, lycopene is transported in the blood by various lipoproteins and accumulates in the liver, adrenal glands, and testes. Because preliminary research has shown an inverse correlation between consumption of tomatoes and cancer risk, lycopene has been considered a potential agent for prevention of some types of cancers, particularly prostate cancer. However, this area of research and the relationship with prostate cancer have been deemed insufficient of evidence for health claim approval by the US Food and Drug Administration (see below under Antioxidant properties and potential health benefits). Read more... or Edit at Wikipedia...
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  • miscellaneous
    • Stability: Heat sensitive - store at -70 C. Combustible. Incompatible with strong oxidizing agents.
    • Safety: Minimize contact.
Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

(6E,8E,10​E,12E,14E​,16E,18E,​20E,22E,2​4E,26E)-2​,6,10,14,​19,23,27,​31-Octame​thyl-2,6,​8,10,12,1​4,16,18,2​0,22,24,2​6,30-dotr​iacontatr​idecaen

(6E,8E,10​E,12E,14E​,16E,18E,​20E,22E,2​4E,26E)-2​,6,10,14,​19,23,27,​31-Octame​thyl-2,6,​8,10,12,1​4,16,18,2​0,22,24,2​6,30-dotr​iacontatr​idecaene

(6E,8E,10​E,12E,14E​,16E,18E,​20E,22E,2​4E,26E)-2​,6,10,14,​19,23,27,​31-Octamé​thyl-2,6,​8,10,12,1​4,16,18,2​0,22,24,2​6,30-dotr​iacontatr​idécaène

(all-E)-2​,6,10,14,​19,23,27,​31-Octame​thyl-2,6,​8,10,12,1​4,16,18,2​0,22,24,2​6,30-dotr​iacontatr​idecaene

(all-tran​s)-Lycope​ne

.psi.,.ps​i.-Carote​ne

502-65-8 [RN]

lycopen

Lycopene ​all-trans-

psi,psi-C​arotin

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Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

ACD/LogP: 15.19 # of Rule of 5 Violations: 2
ACD/LogD (pH 5.5): 15.19 ACD/LogD (pH 7.4): 15.19
ACD/BCF (pH 5.5): 1000000 ACD/BCF (pH 7.4): 1000000
ACD/KOC (pH 5.5): 10000000 ACD/KOC (pH 7.4): 10000000
#H bond acceptors: 0 #H bond donors: 0
#Freely Rotating Bonds: 16 Polar Surface Area: 0 Å2
Index of Refraction: 1.53 Molar Refractivity: 186.85 cm3
Molar Volume: 604.2 cm3 Polarizability: 74.07 10-24cm3
Surface Tension: 31 dyne/cm Density: 0.888 g/cm3
Flash Point: 350.7 °C Enthalpy of Vaporization: 93.73 kJ/mol
Boiling Point: 660.9 °C at 760 mmHg Vapour Pressure: 1.33E-16 mmHg at 25°C
Descriptors: 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 38, 0, 0, 18, 0, 0, 0, 0, 26, 0, 0, 0
CategoryTargetPDB CodeLASSO Score
KinasesSRC, tyrosine kinase SRC2src0.97
Nuclear Hormone ReceptorsAR, androgen receptor1xq20.81
Other EnzymesHMGR, hydroxymethylglutaryl-CoA reductase1hw80.39
KinasesFGFr1, fibroblast growth factor receptor kinase1agw0.39
Nuclear Hormone ReceptorsPR, progesterone receptor1sr70.29
Nuclear Hormone ReceptorsGR, glucocorticoid receptor1m2z0.10
Other EnzymesCOX-2, cyclooxygenase-21cx20.09
Other EnzymesNA, neuraminidase1a4g0.05
Nuclear Hormone ReceptorsPPARg, peroxisome proliferator activated receptor1fm90.03
MetalloenzymesACE, angiotensin-converting enzyme1o860.03
Other EnzymesHIVRT, HIV reverse transcriptase1rt10.02
Other EnzymesGPB, glycogen phosphorylase1a8i0.02
KinasesPDGFrb, platelet derived growth factor receptor kinaseN/A0.02
Serine ProteasesThrombin1ba80.01
Other EnzymesHIVPR, HIV protease1hpx0.01
Other EnzymesPARP, poly(ADP-ribose) polymerase1efy0.01
Other EnzymesPNP, purine nucleoside phosphorylase1b8o0.01
Other EnzymesInhA, enoyl ACP reductase1p440.00
Folate EnzymesDHFR, dihydrofolate reductase3dfr0.00
Other EnzymesAmpC, AmpC beta-lactamase1xgj0.00
Nuclear Hormone ReceptorsER, estrogen receptor; agonist1l2i0.00
Serine ProteasesTrypsin1bju0.00
KinasesVEGFr2, vascular endothelial growth factor receptor1vr20.00
Nuclear Hormone ReceptorsMR, mineralocorticoid receptor2aa20.00
Nuclear Hormone ReceptorsRXRa, retinoic X receptor R1mvc0.00
Other EnzymesSAHH, S-adenosyl-homocysteine hydrolase1a7a0.00
MetalloenzymesCOMT, catechol O-methyltransferase1h1d0.00
Other EnzymesALR2, aldose reductase1ah30.00
KinasesCDK2, cyclindependent kinase 21ckp0.00
Nuclear Hormone ReceptorsER, estrogen receptor; antagonist3ert0.00
KinasesP38 MAP, P38 mitogen activated protein1kv20.00
MetalloenzymesPDE5, phosphodiesterase 51xp00.00
Other EnzymesCOX-1, cyclooxygenase-11p4g0.00
MetalloenzymesADA, adenosine deaminase1stw0.00
Other EnzymesAChE, acetylcholinesterase1eve0.00
Folate EnzymesGART, glycinamide ribonucleotide transformylase1c2t0.00
KinasesHSP90, human heat shock protein 901uy60.00
Serine ProteasesFXa, factor Xa1f0r0.00
KinasesEGFr, epidermal growth factor receptor1m170.00
KinasesTK, thymidine kinase1kim0.00